methyl 3-(2-oxopyrrolidin-3-yl)prop-2-enoate

C8H11NO3 — CID 68767704

IUPACmethyl 3-(2-oxopyrrolidin-3-yl)prop-2-enoate
SMILESCOC(=O)C=CC1CCNC1=O
InChIInChI=1S/C8H11NO3/c1-12-7(10)3-2-6-4-5-9-8(6)11/h2-3,6H,4-5H2,1H3,(H,9,11)
InChIKeyPZMZWUXQCPVSQX-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.15
Rot. Bonds2

About methyl 3-(2-oxopyrrolidin-3-yl)prop-2-enoate

methyl 3-(2-oxopyrrolidin-3-yl)prop-2-enoate (PubChem CID 68767704) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is methyl 3-(2-oxopyrrolidin-3-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(2-oxopyrrolidin-3-yl)prop-2-enoate
PubChem CID68767704
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Namemethyl 3-(2-oxopyrrolidin-3-yl)prop-2-enoate
SMILESCOC(=O)C=CC1CCNC1=O
InChIInChI=1S/C8H11NO3/c1-12-7(10)3-2-6-4-5-9-8(6)11/h2-3,6H,4-5H2,1H3,(H,9,11)
InChIKeyPZMZWUXQCPVSQX-UHFFFAOYSA-N
XLogP-0.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-5-methyl-6-oxo-6-pyrrolidin-1-ylhex-2-enoate
CID 146168827
methyl (E)-3-[(3S,5R)-5-ethenyl-2-oxopyrrolidin-3-yl]prop-2-enoate
CID 178341408
methyl (E)-3-[(2R,4S)-4-ethenyl-5-oxopyrrolidin-2-yl]prop-2-enoate
CID 178341410
Ethyl 3-pyrrolidin-3-ylprop-2-enoate
CID 54435450
ethyl (E,4S)-4-methyl-5-[(3R)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 60138356
methyl (E)-3-(2-oxopyrrolidin-3-yl)prop-2-enoate
CID 68767701
ethyl 5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 69591143
Methyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)-2-methylprop-2-enoate
CID 69970443
Ethyl 2-methyl-3-(2-oxopyrrolidin-3-yl)prop-2-enoate
CID 70138530
Prop-2-enyl 3-pyrrolidin-3-ylprop-2-enoate
CID 70598513
Methyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate
CID 91164598
Ethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate
CID 91324235

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-oxopyrrolidin-3-yl)prop-2-enoate?
The IUPAC name of methyl 3-(2-oxopyrrolidin-3-yl)prop-2-enoate (CID 68767704) is methyl 3-(2-oxopyrrolidin-3-yl)prop-2-enoate.
What is the SMILES notation for methyl 3-(2-oxopyrrolidin-3-yl)prop-2-enoate?
The canonical SMILES for methyl 3-(2-oxopyrrolidin-3-yl)prop-2-enoate is COC(=O)C=CC1CCNC1=O.
What is the InChIKey of methyl 3-(2-oxopyrrolidin-3-yl)prop-2-enoate?
The InChIKey is PZMZWUXQCPVSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-12-7(10)3-2-6-4-5-9-8(6)11/h2-3,6H,4-5H2,1H3,(H,9,11).
What are the key properties of methyl 3-(2-oxopyrrolidin-3-yl)prop-2-enoate?
methyl 3-(2-oxopyrrolidin-3-yl)prop-2-enoate has a molecular weight of 169.18 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-oxopyrrolidin-3-yl)prop-2-enoate is sourced from PubChem (CID 68767704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).